5-chloro-1-(1-(2-cyclohexyl-2,2-difluoroethyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one | 1116119-02-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 5-chloro-1-(1-(2-cyclohexyl-2,2-difluoroethyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
• 英文别名: 6-chloro-3-[1-(2-cyclohexyl-2,2-difluoroethyl)piperidin-4-yl]-1H-benzimidazol-2-one
• CAS: 1116119-02-8
• 化学式: C₂₀H₂₆ClF₂N₃O
• 分子量: 397.896
• InChiKey: WLOJTGMCFABFRF-UHFFFAOYSA-N

物化性质

• 密度：
  1.275±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  35.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-Cyclohexyl-2,2-difluoroacetaldehyde 、 5-氯-1,3-二氢-1-(4-哌啶基)-2H-苯并咪唑-2-酮 在 三乙酰氧基硼氢化钠 作用下， 以 1,2-二氯乙烷 为溶剂， 以15.2 mg的产率得到5-chloro-1-(1-(2-cyclohexyl-2,2-difluoroethyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
  参考文献：
  名称：

  Rapid, General Access to Chiral β-Fluoroamines and β,β-Difluoroamines via Organocatalysis

  摘要：

  A rapid, general route to enantiopure beta-fluoroamines and beta,beta-difluoroamines has been developed employing organocatalysis in both a two-pot and a one-pot procedure. Both chemical yields (64-82%) and enantioselectivity (94-98% ee) were excellent and represent a significant improvement in the art of preparing chemically diverse beta-fluoroamines from readily available precursors.

  DOI：

  10.1021/ol802930q

文献信息

• Rapid, General Access to Chiral β-Fluoroamines and β,β-Difluoroamines via Organocatalysis
  作者：Olugbeminiyi O. Fadeyi、Craig W. Lindsley

  DOI：10.1021/ol802930q

  日期：2009.2.19

  A rapid, general route to enantiopure beta-fluoroamines and beta,beta-difluoroamines has been developed employing organocatalysis in both a two-pot and a one-pot procedure. Both chemical yields (64-82%) and enantioselectivity (94-98% ee) were excellent and represent a significant improvement in the art of preparing chemically diverse beta-fluoroamines from readily available precursors.